CID 105512502

Tert-butyl n-[2-methyl-1-(piperazin-1-yl)propan-2-yl]carbamate

Structural Information

Molecular Formula
C13H27N3O2
SMILES
CC(C)(C)OC(=O)NC(C)(C)CN1CCNCC1
InChI
InChI=1S/C13H27N3O2/c1-12(2,3)18-11(17)15-13(4,5)10-16-8-6-14-7-9-16/h14H,6-10H2,1-5H3,(H,15,17)
InChIKey
SUAAWJNXUHLLJK-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methyl-1-piperazin-1-ylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21033 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.21761 166.1
[M+Na]+ 280.19955 168.4
[M-H]- 256.20305 164.2
[M+NH4]+ 275.24415 179.3
[M+K]+ 296.17349 167.0
[M+H-H2O]+ 240.20759 159.1
[M+HCOO]- 302.20853 178.4
[M+CH3COO]- 316.22418 195.0
[M+Na-2H]- 278.18500 169.7
[M]+ 257.20978 161.9
[M]- 257.21088 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.